chempirical

Fura 2AM

C44H47N3O24CAS 108964-32-51001.86 g/mol

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AcetalEsterEtherTertiary amine

Properties

Molecular formula
C44H47N3O24
Molar mass
1001.86 g/mol
Exact mass
1001.2549 Da
logP
2.40Crippen estimate
Polar surface area
327.1 Ų
H-bond donors / acceptors
0 / 27
Rotatable bonds
27

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
108964-32-5
SMILES
CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc2cc(-c3ncc(C(=O)OCOC(C)=O)o3)oc2cc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O
InChIKey
VPSRLGDRGCKUTK-UHFFFAOYSA-N
InChI
InChI=1S/C44H47N3O24/c1-25-7-8-32(46(16-39(53)65-20-60-26(2)48)17-40(54)66-21-61-27(3)49)35(11-25)58-9-10-59-36-12-31-13-37(43-45-15-38(71-43)44(57)69-24-64-30(6)52)70-34(31)14-33(36)47(18-41(55)67-22-62-28(4)50)19-42(56)68-23-63-29(5)51/h7-8,11-15H,9-10,16-24H2,1-6H3

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Names and synonyms

2 names
  • 5-Oxazolecarboxylic acid, 2-[6-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-5-[2-[2-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-5-methylphenoxy]ethoxy]-2-benzofuranyl]-, (acetyloxy)methyl ester
  • Fura 2 acetoxymethyl ester

Work with Fura 2AM

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bapta-am126150-97-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook